methyl 3-acetamido-1-(3-methylbutyl)-5-(1-oxidanylpropan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(1-oxidanylpropan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(2-hydroxy-1-methyl-ethyl)amino]-1-isopentyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(1-hydroxypropan-2-ylamino)-1-(3-methylbutyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(1-hydroxypropan-2-ylamino)-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(2-hydroxy-1-methyl-ethyl)amino]-1-isoamyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC(C)CO)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC(C)CO)NC(=O)C)C(=O)OC

InChI

InChI=1S/C19H28N4O4/c1-11(2)6-7-23-17(19(26)27-5)16(22-13(4)25)15-8-14(9-20-18(15)23)21-12(3)10-24/h8-9,11-12,21,24H,6-7,10H2,1-5H3,(H,22,25)